1QFI

SYNTHESIS AND STRUCTURE OF PROLINE RING MODIFIED ACTINOMYCINS OF X TYPE

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 0.91 Å

wwPDB Validation   3D Report Full Report


This is version 3.1 of the entry. See complete history. 


Literature

Synthesis and Structure of Proline Ring Modified Actinomycins of the X-Type

Lifferth, A., Bahner, I., Lackner, H., Schaefer, M.

(1999) Z Naturforsch C Biosci 54: 681


Macromolecules

Find similar proteins by:  Sequence   |   3D Structure  

Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
ACTINOMYCIN X2
A, B, C
11Streptomyces antibioticusMutation(s): 0 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
Sequence Annotations
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  • Reference Sequence
Small Molecules
Ligands 2 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
EEE
Query on EEE
Download Ideal Coordinates CCD File 
D [auth A]
E [auth A]
F [auth A]
G [auth A]
H [auth A]
D [auth A],
E [auth A],
F [auth A],
G [auth A],
H [auth A],
J [auth C],
L [auth C]
ETHYL ACETATE
C4 H8 O2
XEKOWRVHYACXOJ-UHFFFAOYSA-N
MOH
Query on MOH
Download Ideal Coordinates CCD File 
I [auth A],
K [auth C],
M [auth C],
N [auth C],
O [auth C]		METHANOL
C H4 O
OKKJLVBELUTLKV-UHFFFAOYSA-N
Modified Residues  3 Unique
IDChains TypeFormula2D DiagramParent
DPL
Query on DPL
A, B, C
L-PEPTIDE LINKINGC5 H7 N O3PRO
MVA
Query on MVA
A, B, C
L-PEPTIDE LINKINGC6 H13 N O2VAL
SAR
Query on SAR
A, B, C
PEPTIDE LINKINGC3 H7 N O2GLY
Biologically Interesting Molecules (External Reference) 1 Unique
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 0.91 Å
  • Space Group: P 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 15.594α = 86.23
b = 16.009β = 85.16
c = 25.322γ = 69.65
Software Package:
Software NamePurpose
SHELXmodel building
SHELXL-97refinement
SAINTdata reduction
SADABSdata scaling
SHELXphasing

Structure Validation

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Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2003-07-15
    Type: Initial release
  • Version 1.1: 2011-06-14
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Version format compliance
  • Version 1.3: 2011-07-27
    Changes: Atomic model, Database references, Derived calculations, Non-polymer description, Structure summary
  • Version 1.4: 2012-12-12
    Changes: Other
  • Version 1.5: 2017-10-04
    Changes: Advisory, Refinement description
  • Version 2.0: 2023-11-15
    Changes: Atomic model, Data collection, Database references, Derived calculations
  • Version 3.0: 2024-07-10
    Changes: Data collection, Derived calculations, Non-polymer description, Structure summary
  • Version 3.1: 2024-10-09
    Changes: Structure summary